#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm n SER 2 N 0.00 2.99 -4.52 1.61 7.64 -1.26 -4.94 113.62 115.14 1udm n SER 2 Ca 0.00 -3.05 -0.42 0.00 1.01 0.00 0.00 58.87 56.41 1udm n SER 2 Cb 0.00 -0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 62.69 1udm n SER 2 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1udm s GLU 3 N -2.83 3.27 -0.29 1.43 2.02 -1.26 -5.00 118.70 116.03 1udm s GLU 3 Ca 0.36 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.92 1udm s GLU 3 Cb 0.30 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 1udm s GLU 3 CO 0.05 -1.76 0.21 0.20 0.02 0.00 0.00 175.26 173.98 1udm s GLY 4 N 3.28 1.94 0.29 -1.39 0.00 -1.26 -4.64 107.32 105.54 1udm s GLY 4 Ca 0.31 -1.16 0.04 0.00 0.00 0.00 0.00 44.72 43.92 1udm s GLY 4 CO 0.17 0.69 0.43 0.00 0.00 0.00 0.00 173.10 174.39 1udm s ALA 5 N 1.76 3.93 -0.53 3.20 0.00 -1.26 -5.07 121.76 123.78 1udm s ALA 5 Ca 0.07 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 1udm s ALA 5 Cb -0.16 -1.81 0.13 0.00 0.00 0.00 0.00 23.12 21.27 1udm s ALA 5 CO 0.11 0.11 0.49 0.00 0.00 0.00 0.00 175.76 176.47 1udm s ALA 6 N -2.11 3.63 -0.10 0.00 0.00 -1.26 -4.80 121.76 117.12 1udm s ALA 6 Ca 0.38 -2.54 -0.07 0.00 0.00 0.00 0.00 51.96 49.72 1udm s ALA 6 Cb -0.09 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1udm s ALA 6 CO 0.31 -2.01 0.26 0.95 0.00 0.00 0.00 175.76 175.27 1udm s THR 7 N 1.58 -0.02 -0.02 0.00 -4.23 -1.26 -5.05 115.64 106.64 1udm s THR 7 Ca 0.03 0.07 -0.20 0.00 -1.18 0.00 0.00 61.69 60.40 1udm s THR 7 Cb -0.30 -0.38 -0.29 0.00 1.34 0.00 0.00 72.50 72.87 1udm s THR 7 CO 0.03 0.03 0.98 -0.03 -0.54 0.00 0.00 174.62 175.09 1udm h MET 8 N 6.41 0.37 -6.25 3.99 4.05 -2.00 -3.44 114.93 118.08 1udm h MET 8 Ca -0.33 -0.54 -0.55 0.00 -0.28 0.00 0.00 59.70 58.00 1udm h MET 8 Cb 1.18 0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 32.14 1udm h MET 8 CO 0.36 1.22 0.96 0.00 0.23 0.00 0.00 176.91 179.68 1udm s ALA 9 N -2.74 3.63 -0.01 0.39 0.00 -1.26 -5.01 121.76 116.76 1udm s ALA 9 Ca -0.13 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 1udm s ALA 9 Cb 0.02 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1udm s ALA 9 CO 0.84 -1.21 0.19 0.99 0.00 0.00 0.00 175.76 176.58 1udm s THR 10 N 3.47 5.42 0.31 0.00 2.01 -1.26 -4.97 115.64 120.62 1udm s THR 10 Ca 0.64 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.58 1udm s THR 10 Cb -0.29 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1udm s THR 10 CO 0.23 0.32 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.91 1udm s LYS 11 N -1.94 1.64 0.04 4.92 -0.14 -1.18 -5.03 119.74 118.05 1udm s LYS 11 Ca 0.27 -1.86 0.05 0.00 -1.36 0.00 0.00 55.97 53.08 1udm s LYS 11 Cb -0.13 -1.21 -0.02 0.00 -1.68 0.00 0.00 37.83 34.80 1udm s LYS 11 CO 0.19 -0.00 -0.15 -1.50 -0.76 0.00 0.00 175.35 173.12 1udm s ILE 12 N -2.99 1.22 0.00 2.17 2.07 -1.26 0.09 121.20 122.50 1udm s ILE 12 Ca 0.32 -1.04 -0.03 0.00 -1.41 0.00 0.00 60.65 58.49 1udm s ILE 12 Cb 0.05 -1.10 -0.12 0.00 0.13 0.00 0.00 42.46 41.42 1udm s ILE 12 CO 0.14 0.05 2.62 -0.67 -1.91 0.00 0.00 174.94 175.16 1udm n ASP 13 N 1.89 4.95 -0.05 4.50 -0.08 -0.15 -4.69 116.55 122.92 1udm n ASP 13 Ca -0.18 -2.36 0.02 0.00 -1.51 0.00 0.00 54.79 50.75 1udm n ASP 13 Cb 0.54 -1.19 0.03 0.00 2.34 0.00 0.00 41.12 42.85 1udm n ASP 13 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1udm n LYS 14 N 2.01 -0.01 0.26 -0.67 5.02 -1.26 0.27 118.16 123.77 1udm n LYS 14 Ca 0.19 0.23 -0.17 0.00 -2.02 0.00 0.00 58.31 56.54 1udm n LYS 14 Cb 0.66 -0.35 -0.08 0.00 -0.02 0.00 0.00 35.03 35.24 1udm n LYS 14 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1udm h GLU 15 N 0.00 -0.81 -0.34 1.97 4.11 -1.99 0.30 114.58 117.82 1udm h GLU 15 Ca 0.08 0.06 -0.13 0.00 0.07 0.00 0.00 59.36 59.43 1udm h GLU 15 Cb 0.15 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1udm h GLU 15 CO -0.15 -0.54 -0.33 0.00 0.07 0.00 0.00 179.01 178.06 1udm h ALA 16 N -0.48 0.78 0.96 1.06 0.00 0.34 -3.15 119.26 118.76 1udm h ALA 16 Ca -0.04 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1udm h ALA 16 Cb 0.74 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1udm h ALA 16 CO -0.05 0.65 -0.47 0.00 0.00 0.00 0.00 179.25 179.38 1udm h ARG 18 N -1.30 0.29 -0.03 0.00 2.43 -0.46 0.28 114.38 115.58 1udm h ARG 18 Ca -0.13 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1udm h ARG 18 Cb 1.00 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1udm h ARG 18 CO 0.21 0.19 0.02 0.00 -1.51 0.00 0.00 179.97 178.88 1udm h ALA 19 N 1.84 0.04 -0.35 2.80 0.00 -1.44 -1.27 119.26 120.88 1udm h ALA 19 Ca 0.70 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.55 1udm h ALA 19 Cb 1.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1udm h ALA 19 CO -0.62 -0.43 0.10 0.00 0.00 0.00 0.00 179.25 178.30 1udm h ALA 20 N 0.95 0.46 0.00 0.00 0.00 -0.09 0.10 119.26 120.68 1udm h ALA 20 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1udm h ALA 20 Cb 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1udm h ALA 20 CO -0.00 0.11 -0.01 -0.92 0.00 0.00 0.00 179.25 178.43 1udm h TYR 21 N 0.41 0.00 0.08 0.00 3.20 -0.62 -2.62 116.97 117.42 1udm h TYR 21 Ca 0.11 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.65 1udm h TYR 21 Cb 0.27 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1udm h TYR 21 CO 0.01 0.01 -1.83 0.09 -1.64 0.00 0.00 178.16 174.80 1udm n ASN 22 N -3.19 2.04 0.29 -2.11 3.02 -0.49 -2.42 115.26 112.40 1udm n ASN 22 Ca -0.02 0.26 0.14 0.00 -0.03 0.00 0.00 54.58 54.92 1udm n ASN 22 Cb 0.13 -0.87 0.73 0.00 -0.61 0.00 0.00 39.78 39.15 1udm n ASN 22 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1udm h LEU 23 N -0.27 0.00 0.00 3.41 -0.00 -0.44 0.50 115.31 118.52 1udm h LEU 23 Ca -0.42 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.18 1udm h LEU 23 Cb 1.81 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.42 1udm h LEU 23 CO -0.02 0.00 -2.06 0.52 -0.00 0.00 0.00 178.44 176.88 1udm n VAL 24 N -2.69 1.06 0.09 1.22 0.31 -1.14 -4.12 118.33 113.06 1udm n VAL 24 Ca -0.02 -0.41 -0.02 0.00 -0.01 0.00 0.00 64.34 63.88 1udm n VAL 24 Cb 0.33 -1.14 0.23 0.00 -0.91 0.00 0.00 33.84 32.35 1udm n VAL 24 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1udm h ARG 25 N 0.00 0.26 -6.79 5.55 2.43 -0.94 -3.44 114.38 111.45 1udm h ARG 25 Ca -0.41 -0.12 -0.52 0.00 -0.81 0.00 0.00 59.98 58.11 1udm h ARG 25 Cb 1.65 -0.00 0.06 0.00 -0.42 0.00 0.00 29.97 31.25 1udm h ARG 25 CO -0.06 0.62 0.70 0.34 -1.51 0.00 0.00 179.97 180.05 1udm s ASP 26 N -6.87 6.73 -0.02 -3.80 2.15 0.17 -4.89 116.67 110.13 1udm s ASP 26 Ca -0.05 2.65 0.02 0.00 0.43 0.00 0.00 52.55 55.60 1udm s ASP 26 Cb 0.13 -2.63 0.10 0.00 -0.30 0.00 0.00 42.92 40.22 1udm s ASP 26 CO 0.77 -0.62 0.78 -0.67 -0.17 0.00 0.00 175.17 175.27 1udm n ASP 27 N 1.74 1.30 -0.00 -0.34 2.03 -1.26 -3.15 116.55 116.87 1udm n ASP 27 Ca 0.04 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.26 1udm n ASP 27 Cb 0.41 -0.39 -0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1udm n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1udm n GLY 28 N 0.25 0.06 3.30 0.27 0.00 -1.26 -4.96 105.19 102.85 1udm n GLY 28 Ca 0.04 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1udm n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1udm s SER 29 N -0.65 5.35 0.50 1.61 0.01 -1.19 -4.96 113.70 114.38 1udm s SER 29 Ca 0.00 -1.06 0.43 0.00 1.31 0.00 0.00 55.95 56.64 1udm s SER 29 Cb 0.00 -1.89 1.62 0.00 0.21 0.00 0.00 66.02 65.95 1udm s SER 29 CO 0.01 -0.32 1.52 0.00 0.41 0.00 0.00 173.24 174.86 1udm n ALA 30 N 4.85 1.68 -1.56 1.44 0.00 -1.26 -4.52 120.51 121.13 1udm n ALA 30 Ca -0.13 0.71 -0.54 0.00 0.00 0.00 0.00 53.44 53.49 1udm n ALA 30 Cb 0.45 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 1udm n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1udm n VAL 31 N -4.14 0.09 0.01 0.00 0.31 -1.26 -4.45 118.33 108.90 1udm n VAL 31 Ca 0.42 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1udm n VAL 31 Cb 1.83 -0.60 -0.00 0.00 -0.91 0.00 0.00 33.84 34.16 1udm n VAL 31 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1udm n ILE 32 N 2.15 0.00 -3.94 2.52 -5.35 -0.53 -4.40 119.36 109.81 1udm n ILE 32 Ca 0.19 -0.37 -0.09 0.00 -0.27 0.00 0.00 62.75 62.21 1udm n ILE 32 Cb 0.17 0.87 -0.08 0.00 -1.74 0.00 0.00 39.64 38.86 1udm n ILE 32 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1udm s TRP 33 N -1.27 0.32 -0.27 4.28 1.48 -0.87 -0.17 118.94 122.44 1udm s TRP 33 Ca 0.00 -0.75 -0.24 0.00 -1.06 0.00 0.00 56.10 54.05 1udm s TRP 33 Cb 0.00 -0.14 0.08 0.00 -1.16 0.00 0.00 33.47 32.25 1udm s TRP 33 CO 0.01 -0.57 0.75 0.54 -4.06 0.00 0.00 176.95 173.63 1udm s VAL 34 N -3.91 0.00 0.13 -0.66 0.11 -0.38 -2.85 120.40 112.83 1udm s VAL 34 Ca 0.10 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.22 1udm s VAL 34 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1udm s VAL 34 CO -0.07 0.00 -0.03 0.42 -3.33 0.00 0.00 175.10 172.09 1udm s THR 35 N 0.49 3.70 -0.35 5.04 -4.23 -0.48 0.66 115.64 120.48 1udm s THR 35 Ca -0.01 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1udm s THR 35 Cb -0.05 -2.80 0.11 0.00 1.34 0.00 0.00 72.50 71.10 1udm s THR 35 CO -0.02 0.02 0.14 -0.36 -0.54 0.00 0.00 174.62 173.86 1udm s PHE 36 N -1.46 1.95 0.47 3.99 0.08 0.47 0.95 117.98 124.42 1udm s PHE 36 Ca 0.25 -2.04 0.08 0.00 0.12 0.00 0.00 56.93 55.33 1udm s PHE 36 Cb -0.10 -1.86 0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1udm s PHE 36 CO 0.17 -0.86 0.64 -0.98 -0.10 0.00 0.00 175.22 174.10 1udm s ARG 37 N 1.18 2.68 0.17 0.44 1.70 -0.05 -2.50 118.95 122.56 1udm s ARG 37 Ca 0.12 -1.28 -0.07 0.00 -0.47 0.00 0.00 55.73 54.03 1udm s ARG 37 Cb -0.20 -2.71 -0.06 0.00 -0.57 0.00 0.00 34.95 31.42 1udm s ARG 37 CO -0.16 -0.45 0.45 0.71 -1.08 0.00 0.00 175.30 174.77 1udm s TYR 38 N -2.46 3.47 -0.09 5.89 1.51 -1.26 0.70 117.35 125.11 1udm s TYR 38 Ca 0.57 0.72 0.08 0.00 -1.01 0.00 0.00 57.07 57.43 1udm s TYR 38 Cb -0.09 -2.13 0.14 0.00 -0.11 0.00 0.00 41.96 39.77 1udm s TYR 38 CO 0.35 0.39 1.08 -3.47 -1.11 0.00 0.00 175.55 172.79 1udm n ASP 39 N 0.14 2.22 0.00 2.29 -0.08 -0.40 -4.88 116.55 115.84 1udm n ASP 39 Ca -0.02 -2.47 0.00 0.00 -1.51 0.00 0.00 54.79 50.79 1udm n ASP 39 Cb 0.52 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.78 1udm n ASP 39 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1udm n GLY 40 N -0.84 0.59 2.27 0.27 0.00 -1.26 -4.64 105.19 101.58 1udm n GLY 40 Ca 0.07 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 1udm n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 41 N 0.00 -0.21 -3.65 4.61 0.00 -1.26 -4.73 120.51 115.27 1udm n ALA 41 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 1udm n ALA 41 Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 1udm n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 42 N -2.44 -0.47 0.43 0.00 2.01 -1.26 -3.12 115.64 110.79 1udm s THR 42 Ca 0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.76 1udm s THR 42 Cb 0.00 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.44 1udm s THR 42 CO 0.00 0.00 1.22 -0.63 -0.69 0.00 0.00 174.62 174.53 1udm s ILE 43 N 2.23 2.89 -0.19 1.82 1.01 0.11 -1.27 121.20 127.81 1udm s ILE 43 Ca -0.08 0.74 -0.20 0.00 0.00 0.00 0.00 60.65 61.11 1udm s ILE 43 Cb -0.08 -3.41 0.05 0.00 0.01 0.00 0.00 42.46 39.03 1udm s ILE 43 CO -0.19 0.06 0.56 0.68 0.00 0.00 0.00 174.94 176.05 1udm s VAL 44 N -1.39 0.00 -0.28 2.92 -7.23 0.22 -0.97 120.40 113.68 1udm s VAL 44 Ca 0.59 -0.03 -0.35 0.00 -1.81 0.00 0.00 61.98 60.39 1udm s VAL 44 Cb -0.33 -0.80 -0.12 0.00 0.56 0.00 0.00 36.38 35.70 1udm s VAL 44 CO 0.42 -0.01 2.07 -2.65 -0.31 0.00 0.00 175.10 174.61 1udm n PRO 45 N 2.53 1.38 0.00 4.82 -0.02 -1.26 -0.87 135.00 141.57 1udm n PRO 45 Ca -0.14 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1udm n PRO 45 Cb 0.56 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1udm n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1udm n GLY 46 N 5.72 1.72 3.93 -1.23 0.00 0.27 -4.79 105.19 110.81 1udm n GLY 46 Ca 0.35 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 1udm n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1udm s ASP 47 N -1.00 4.53 -0.29 1.61 1.01 -1.25 -4.86 116.67 116.42 1udm s ASP 47 Ca 0.00 0.45 -0.25 0.00 0.71 0.00 0.00 52.55 53.46 1udm s ASP 47 Cb 0.00 -0.98 0.15 0.00 1.01 0.00 0.00 42.92 43.10 1udm s ASP 47 CO 0.00 -1.81 1.19 -1.58 0.21 0.00 0.00 175.17 173.19 1udm s GLN 48 N -5.38 0.32 -0.06 8.23 0.74 -1.26 -1.38 119.66 120.88 1udm s GLN 48 Ca 0.62 0.39 -0.22 0.00 0.05 0.00 0.00 55.36 56.21 1udm s GLN 48 Cb -0.10 0.15 0.07 0.00 1.10 0.00 0.00 33.01 34.24 1udm s GLN 48 CO 0.46 -0.04 0.98 0.41 -0.55 0.00 0.00 175.29 176.56 1udm n GLY 49 N 2.03 0.21 0.92 2.59 0.00 -1.13 -5.01 105.19 104.80 1udm n GLY 49 Ca -0.12 -0.96 0.10 0.00 0.00 0.00 0.00 46.02 45.04 1udm n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 50 N -1.54 2.40 -3.58 4.61 0.00 -1.26 -1.45 120.51 119.70 1udm n ALA 50 Ca -0.07 -0.91 -0.40 0.00 0.00 0.00 0.00 53.44 52.06 1udm n ALA 50 Cb 0.42 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 1udm n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1udm s ASP 51 N -1.36 5.62 0.54 0.00 2.15 -1.26 -4.62 116.67 117.74 1udm s ASP 51 Ca 0.30 -1.91 0.31 0.00 0.43 0.00 0.00 52.55 51.68 1udm s ASP 51 Cb 0.18 -1.98 1.47 0.00 -0.30 0.00 0.00 42.92 42.30 1udm s ASP 51 CO 0.26 -0.66 1.89 0.22 -0.17 0.00 0.00 175.17 176.71 1udm h TYR 52 N 8.38 0.00 -0.10 -5.34 5.03 -1.96 0.47 116.97 123.44 1udm h TYR 52 Ca -0.20 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.02 1udm h TYR 52 Cb 1.07 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.34 1udm h TYR 52 CO 0.62 0.00 -0.36 1.96 -1.32 0.00 0.00 178.16 179.06 1udm h GLN 53 N 0.00 0.20 -0.27 1.82 1.08 -2.00 -2.82 115.11 113.13 1udm h GLN 53 Ca 0.39 -0.08 -0.13 0.00 -1.45 0.00 0.00 58.65 57.38 1udm h GLN 53 Cb 1.61 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.02 1udm h GLN 53 CO -0.00 0.54 -0.35 0.45 -0.95 0.00 0.00 178.83 178.51 1udm h HIS 54 N 0.18 0.70 -0.62 2.96 3.86 -0.48 -2.80 115.15 118.94 1udm h HIS 54 Ca 0.02 -0.19 -0.09 0.00 -1.16 0.00 0.00 60.37 58.95 1udm h HIS 54 Cb 0.72 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1udm h HIS 54 CO 0.01 0.87 0.02 0.35 0.86 0.00 0.00 177.93 180.04 1udm h PHE 55 N 0.50 1.16 0.00 2.45 3.57 -1.36 -2.37 116.94 120.89 1udm h PHE 55 Ca 0.05 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1udm h PHE 55 Cb 0.84 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1udm h PHE 55 CO 0.03 1.02 0.00 0.82 -2.23 0.00 0.00 178.31 177.95 1udm h ILE 56 N 0.98 0.00 -0.00 1.41 2.04 -1.41 -2.12 117.51 118.41 1udm h ILE 56 Ca 0.18 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1udm h ILE 56 Cb 0.54 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1udm h ILE 56 CO 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.17 1udm n GLN 57 N -2.84 0.86 -0.07 2.37 1.13 -0.89 -3.41 117.38 114.52 1udm n GLN 57 Ca 0.01 -0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 54.95 1udm n GLN 57 Cb 0.27 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.02 1udm n GLN 57 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1udm n GLN 58 N -1.04 1.34 -2.43 -1.09 1.13 -0.80 -4.93 117.38 109.56 1udm n GLN 58 Ca 0.21 0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.87 1udm n GLN 58 Cb 0.16 -1.35 -0.02 0.00 0.11 0.00 0.00 30.24 29.14 1udm n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1udm s THR 60 N 4.56 0.48 -2.00 0.00 -4.23 -1.26 -4.91 115.64 108.28 1udm s THR 60 Ca 0.56 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.20 1udm s THR 60 Cb -0.15 -2.37 0.36 0.00 1.34 0.00 0.00 72.50 71.68 1udm s THR 60 CO 0.25 0.00 1.43 0.47 -0.54 0.00 0.00 174.62 176.23 1udm n ASP 61 N -1.34 0.00 -0.10 3.99 8.00 -1.26 -2.79 116.55 123.04 1udm n ASP 61 Ca -0.04 -1.47 0.09 0.00 0.71 0.00 0.00 54.79 54.09 1udm n ASP 61 Cb 0.64 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.87 1udm n ASP 61 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1udm n ASP 62 N -0.71 2.16 -3.52 -2.24 5.68 -1.26 -2.96 116.55 113.70 1udm n ASP 62 Ca 0.09 -2.99 -0.14 0.00 -0.50 0.00 0.00 54.79 51.25 1udm n ASP 62 Cb 0.04 -0.41 -0.04 0.00 -1.14 0.00 0.00 41.12 39.57 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1udm s VAL 63 N -2.64 0.02 -0.12 2.12 0.11 -1.12 -5.01 120.40 113.76 1udm s VAL 63 Ca 0.29 -0.14 -0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1udm s VAL 63 Cb 0.26 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1udm s VAL 63 CO 0.03 -0.08 0.29 0.00 -3.33 0.00 0.00 175.10 172.00 1udm s ARG 64 N -2.71 0.28 0.09 1.54 3.03 -1.26 -0.42 118.95 119.49 1udm s ARG 64 Ca -0.04 0.53 -0.26 0.00 2.03 0.00 0.00 55.73 57.99 1udm s ARG 64 Cb -0.00 -0.01 0.09 0.00 -1.03 0.00 0.00 34.95 33.99 1udm s ARG 64 CO -0.04 -0.12 1.12 -0.48 -1.13 0.00 0.00 175.30 174.65 1udm s LEU 65 N 0.92 -0.08 0.44 -1.89 -0.00 0.35 -4.71 118.68 113.72 1udm s LEU 65 Ca -0.06 -0.36 -0.05 0.00 -0.00 0.00 0.00 54.13 53.65 1udm s LEU 65 Cb -0.07 1.80 -0.04 0.00 -0.00 0.00 0.00 46.19 47.88 1udm s LEU 65 CO -0.06 -0.66 0.74 -0.36 -0.00 0.00 0.00 176.35 176.00 1udm s PHE 66 N -2.62 3.54 -0.23 3.48 0.40 -1.04 0.92 117.98 122.42 1udm s PHE 66 Ca 0.17 0.79 -0.03 0.00 -0.60 0.00 0.00 56.93 57.25 1udm s PHE 66 Cb 0.00 -2.27 0.10 0.00 0.51 0.00 0.00 43.02 41.37 1udm s PHE 66 CO 0.01 -0.18 0.24 0.00 0.70 0.00 0.00 175.22 175.99 1udm s ALA 67 N -2.59 -0.28 -0.46 5.36 0.00 0.27 -0.40 121.76 123.66 1udm s ALA 67 Ca 0.47 0.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.33 1udm s ALA 67 Cb -0.10 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.63 1udm s ALA 67 CO 0.41 -1.33 0.56 0.12 0.00 0.00 0.00 175.76 175.51 1udm s PHE 68 N 2.33 3.10 0.03 0.00 5.36 0.21 0.85 117.98 129.85 1udm s PHE 68 Ca 0.08 -0.37 0.05 0.00 -0.96 0.00 0.00 56.93 55.72 1udm s PHE 68 Cb -0.15 -3.26 -0.03 0.00 -0.34 0.00 0.00 43.02 39.24 1udm s PHE 68 CO -0.18 -0.87 -0.11 0.08 -1.46 0.00 0.00 175.22 172.68 1udm s VAL 69 N 2.47 3.30 -0.27 3.12 1.01 -1.01 -1.25 120.40 127.77 1udm s VAL 69 Ca 0.16 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 1udm s VAL 69 Cb -0.17 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1udm s VAL 69 CO 0.14 0.35 0.44 -0.60 0.00 0.00 0.00 175.10 175.43 1udm s ARG 70 N -1.48 3.99 -0.24 2.72 3.52 0.76 -2.23 118.95 125.99 1udm s ARG 70 Ca 0.17 0.12 -0.03 0.00 -0.13 0.00 0.00 55.73 55.86 1udm s ARG 70 Cb -0.11 -3.67 0.01 0.00 -1.56 0.00 0.00 34.95 29.62 1udm s ARG 70 CO 0.07 -0.34 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.11 1udm s PHE 71 N 2.19 3.00 -0.70 5.12 0.40 -1.26 -4.91 117.98 121.82 1udm s PHE 71 Ca 0.18 -1.23 -0.26 0.00 -0.60 0.00 0.00 56.93 55.02 1udm s PHE 71 Cb -0.16 -2.09 0.04 0.00 0.51 0.00 0.00 43.02 41.32 1udm s PHE 71 CO 0.10 -0.64 1.18 0.95 0.70 0.00 0.00 175.22 177.51 1udm s THR 72 N 1.41 3.92 -0.20 0.64 -4.23 -1.26 -2.69 115.64 113.23 1udm s THR 72 Ca 0.03 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1udm s THR 72 Cb -0.15 -4.83 0.05 0.00 1.34 0.00 0.00 72.50 68.91 1udm s THR 72 CO -0.04 -1.68 -0.06 0.28 -0.54 0.00 0.00 174.62 172.59 1udm s THR 73 N 5.19 1.31 -0.35 3.99 -1.32 -1.26 -5.01 115.64 118.20 1udm s THR 73 Ca 0.33 -0.89 0.06 0.00 -1.21 0.00 0.00 61.69 59.97 1udm s THR 73 Cb -0.10 -1.52 0.19 0.00 -1.51 0.00 0.00 72.50 69.56 1udm s THR 73 CO 0.15 0.04 0.64 -0.83 -2.21 0.00 0.00 174.62 172.41 1udm s GLY 74 N 1.52 -1.27 0.01 6.08 0.00 -1.26 -4.44 107.32 107.97 1udm s GLY 74 Ca -0.02 0.72 -0.20 0.00 0.00 0.00 0.00 44.72 45.22 1udm s GLY 74 CO -0.07 3.71 1.17 -0.55 0.00 0.00 0.00 173.10 177.36 1udm h ASP 75 N 7.44 0.47 -3.81 1.64 3.32 -1.98 -3.46 116.42 120.04 1udm h ASP 75 Ca 0.01 -0.67 -0.43 0.00 0.02 0.00 0.00 57.03 55.95 1udm h ASP 75 Cb 1.19 -0.14 0.17 0.00 0.22 0.00 0.00 39.33 40.77 1udm h ASP 75 CO 0.11 1.07 0.24 0.00 -1.72 0.00 0.00 179.24 178.94 1udm s ALA 76 N -3.54 1.23 0.46 3.45 0.00 -1.26 -4.90 121.76 117.19 1udm s ALA 76 Ca -0.14 -0.85 0.21 0.00 0.00 0.00 0.00 51.96 51.18 1udm s ALA 76 Cb 0.04 -2.92 1.19 0.00 0.00 0.00 0.00 23.12 21.43 1udm s ALA 76 CO 0.79 -2.99 1.89 0.00 0.00 0.00 0.00 175.76 175.46 1udm h MET 77 N -2.08 0.28 -6.71 0.00 -0.00 -2.05 -3.40 114.93 100.97 1udm h MET 77 Ca -0.47 -0.02 -0.52 0.00 -0.00 0.00 0.00 59.70 58.69 1udm h MET 77 Cb 1.29 -0.06 0.04 0.00 -0.00 0.00 0.00 31.60 32.87 1udm h MET 77 CO 0.44 0.18 0.64 -1.12 -0.00 0.00 0.00 176.91 177.05 1udm s SER 78 N -5.77 6.91 -0.14 -0.10 0.01 -1.26 -5.02 113.70 108.33 1udm s SER 78 Ca -0.07 2.43 -0.00 0.00 1.31 0.00 0.00 55.95 59.61 1udm s SER 78 Cb 0.22 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.86 1udm s SER 78 CO 0.77 -0.50 -0.10 -0.75 0.41 0.00 0.00 173.24 173.07 1udm s LYS 79 N -0.43 1.84 -0.30 12.44 2.20 -1.26 -4.55 119.74 129.67 1udm s LYS 79 Ca 0.55 -0.42 -0.13 0.00 -0.36 0.00 0.00 55.97 55.61 1udm s LYS 79 Cb -0.36 -1.86 0.15 0.00 -1.51 0.00 0.00 37.83 34.24 1udm s LYS 79 CO 0.40 -0.28 0.85 0.50 -0.36 0.00 0.00 175.35 176.46 1udm s ARG 80 N 1.60 0.41 0.77 4.03 3.52 -1.26 -5.09 118.95 122.94 1udm s ARG 80 Ca 0.04 1.04 -0.14 0.00 -0.13 0.00 0.00 55.73 56.54 1udm s ARG 80 Cb -0.13 0.62 0.06 0.00 -1.56 0.00 0.00 34.95 33.95 1udm s ARG 80 CO -0.09 -0.14 1.19 0.45 -0.81 0.00 0.00 175.30 175.89 1udm s SER 81 N 2.64 3.93 -0.07 -2.12 0.15 -1.26 -4.47 113.70 112.51 1udm s SER 81 Ca -0.04 2.29 0.09 0.00 0.70 0.00 0.00 55.95 59.00 1udm s SER 81 Cb -0.09 -2.58 -0.13 0.00 -1.71 0.00 0.00 66.02 61.51 1udm s SER 81 CO -0.18 -2.44 0.10 1.17 1.20 0.00 0.00 173.24 173.09 1udm n LYS 82 N -3.09 1.67 -0.50 5.44 3.00 -1.10 -4.97 118.16 118.61 1udm n LYS 82 Ca 0.13 -0.04 0.07 0.00 -0.00 0.00 0.00 58.31 58.47 1udm n LYS 82 Cb 0.51 -1.25 -0.02 0.00 0.00 0.00 0.00 35.03 34.27 1udm n LYS 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1udm n PHE 83 N -2.18 -2.42 -3.65 5.64 3.01 -1.26 -0.16 117.46 116.44 1udm n PHE 83 Ca -0.11 0.63 0.02 0.00 1.01 0.00 0.00 57.45 59.00 1udm n PHE 83 Cb 0.62 -1.06 -0.06 0.00 -0.01 0.00 0.00 39.48 38.97 1udm n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1udm s ALA 84 N -1.77 -2.60 -1.03 4.37 0.00 -0.95 -3.26 121.76 116.52 1udm s ALA 84 Ca 0.00 1.94 -0.17 0.00 0.00 0.00 0.00 51.96 53.73 1udm s ALA 84 Cb 0.00 -1.96 0.14 0.00 0.00 0.00 0.00 23.12 21.30 1udm s ALA 84 CO 0.00 -0.28 1.26 -1.17 0.00 0.00 0.00 175.76 175.56 1udm s LEU 85 N 0.89 4.96 -0.51 0.00 2.96 -0.52 -2.42 118.68 124.05 1udm s LEU 85 Ca -0.06 -2.34 -0.28 0.00 -0.22 0.00 0.00 54.13 51.23 1udm s LEU 85 Cb -0.03 -2.41 -0.00 0.00 0.50 0.00 0.00 46.19 44.25 1udm s LEU 85 CO -0.11 -0.98 1.63 -0.63 -1.32 0.00 0.00 176.35 174.94 1udm s ILE 86 N 2.45 3.60 -0.67 6.68 1.01 0.25 0.66 121.20 135.18 1udm s ILE 86 Ca 0.37 0.51 -0.23 0.00 0.00 0.00 0.00 60.65 61.30 1udm s ILE 86 Cb -0.04 -4.10 0.06 0.00 0.01 0.00 0.00 42.46 38.40 1udm s ILE 86 CO -0.06 -0.90 1.02 -0.89 0.00 0.00 0.00 174.94 174.11 1udm s THR 87 N 7.07 4.22 0.23 2.92 2.01 0.44 0.94 115.64 133.47 1udm s THR 87 Ca 0.63 -0.23 -0.27 0.00 0.31 0.00 0.00 61.69 62.14 1udm s THR 87 Cb -0.14 -4.72 -0.09 0.00 0.01 0.00 0.00 72.50 67.56 1udm s THR 87 CO 0.26 -1.52 0.87 0.86 -0.69 0.00 0.00 174.62 174.40 1udm s TRP 88 N 4.35 3.88 -0.29 4.92 -0.11 0.26 -0.52 118.94 131.42 1udm s TRP 88 Ca 0.24 1.76 -0.00 0.00 1.22 0.00 0.00 56.10 59.32 1udm s TRP 88 Cb -0.15 -2.87 0.14 0.00 -1.50 0.00 0.00 33.47 29.08 1udm s TRP 88 CO 0.11 0.42 0.30 0.42 -4.62 0.00 0.00 176.95 173.58 1udm s ILE 89 N -1.28 -0.40 0.02 5.86 1.01 -0.12 -0.49 121.20 125.79 1udm s ILE 89 Ca 0.41 -0.49 -0.25 0.00 0.00 0.00 0.00 60.65 60.32 1udm s ILE 89 Cb -0.23 -0.98 -0.13 0.00 0.01 0.00 0.00 42.46 41.13 1udm s ILE 89 CO 0.28 -0.47 0.63 0.61 0.00 0.00 0.00 174.94 175.99 1udm n GLY 90 N 5.30 -0.32 0.00 6.18 0.00 0.44 -4.32 105.19 112.47 1udm n GLY 90 Ca -0.02 0.45 0.06 0.00 0.00 0.00 0.00 46.02 46.51 1udm n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1udm n GLU 91 N 0.91 0.75 -0.01 1.61 0.00 -1.21 -2.64 120.64 120.07 1udm n GLU 91 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.29 1udm n GLU 91 Cb 0.07 -1.25 -0.02 0.00 0.00 0.00 0.00 31.44 30.24 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1udm n ASP 92 N -0.75 4.27 -4.55 4.31 2.03 -1.15 -5.05 116.55 115.66 1udm n ASP 92 Ca 0.09 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.98 1udm n ASP 92 Cb 0.04 0.92 0.01 0.00 -0.72 0.00 0.00 41.12 41.37 1udm n ASP 92 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1udm n VAL 93 N -1.81 2.23 -2.18 5.18 0.24 -1.08 -4.90 118.33 116.01 1udm n VAL 93 Ca -0.02 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.39 1udm n VAL 93 Cb 0.28 -0.91 -0.01 0.00 -1.47 0.00 0.00 33.84 31.73 1udm n VAL 93 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1udm s SER 94 N -0.82 6.29 0.11 -1.34 0.15 -1.26 -4.82 113.70 112.00 1udm s SER 94 Ca 0.63 2.45 -0.20 0.00 0.70 0.00 0.00 55.95 59.54 1udm s SER 94 Cb -0.59 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.07 1udm s SER 94 CO 0.57 -0.85 1.01 0.61 1.20 0.00 0.00 173.24 175.78 1udm n GLY 95 N 0.61 -1.68 0.21 9.45 0.00 -1.26 -0.51 105.19 112.01 1udm n GLY 95 Ca 0.05 0.77 -0.06 0.00 0.00 0.00 0.00 46.02 46.79 1udm n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1udm n LEU 96 N -4.82 -0.54 -0.25 0.99 0.00 -1.26 0.14 117.00 111.25 1udm n LEU 96 Ca 0.02 1.09 0.06 0.00 0.00 0.00 0.00 56.01 57.17 1udm n LEU 96 Cb 0.17 -0.21 0.17 0.00 0.00 0.00 0.00 43.42 43.56 1udm n LEU 96 CO -0.10 -0.83 0.86 1.56 0.00 0.00 0.00 177.39 178.88 1udm h GLN 97 N 0.00 0.15 -0.10 1.96 7.50 -1.15 0.54 115.11 124.00 1udm h GLN 97 Ca 0.08 -0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.14 1udm h GLN 97 Cb 0.21 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 1udm h GLN 97 CO -0.48 0.10 -0.34 -0.09 -1.50 0.00 0.00 178.83 176.52 1udm h ARG 98 N 0.15 0.19 0.00 1.46 2.43 0.13 0.15 114.38 118.89 1udm h ARG 98 Ca 0.42 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1udm h ARG 98 Cb 0.74 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1udm h ARG 98 CO -0.61 0.51 0.00 0.00 -1.51 0.00 0.00 179.97 178.35 1udm h ALA 99 N 1.49 1.00 0.01 2.80 0.00 0.46 -3.17 119.26 121.86 1udm h ALA 99 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.57 1udm h ALA 99 Cb 0.68 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1udm h ALA 99 CO 0.05 0.00 -2.25 1.63 0.00 0.00 0.00 179.25 178.68 1udm n LYS 100 N -2.54 0.68 -0.02 0.00 4.76 0.13 -3.83 118.16 117.33 1udm n LYS 100 Ca 0.05 0.12 -0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1udm n LYS 100 Cb 0.44 -1.59 0.29 0.00 -1.84 0.00 0.00 35.03 32.33 1udm n LYS 100 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1udm h THR 101 N 0.01 1.19 0.01 -0.18 2.02 -0.77 -1.33 112.91 113.86 1udm h THR 101 Ca -0.50 -0.74 -0.26 0.00 0.77 0.00 0.00 66.41 65.69 1udm h THR 101 Cb 2.09 0.87 0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1udm h THR 101 CO 0.01 0.26 -1.03 1.23 0.37 0.00 0.00 175.52 176.37 1udm h GLY 102 N 0.83 0.66 2.00 2.16 0.00 -1.74 -3.09 103.07 103.90 1udm h GLY 102 Ca 0.12 -1.19 -0.09 0.00 0.00 0.00 0.00 47.33 46.17 1udm h GLY 102 CO 0.00 1.05 -0.44 -0.84 0.00 0.00 0.00 176.54 176.31 1udm h THR 103 N 0.33 1.22 -0.16 4.70 2.02 -1.61 -2.37 112.91 117.04 1udm h THR 103 Ca -0.12 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1udm h THR 103 Cb 1.68 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1udm h THR 103 CO 0.19 0.44 0.00 0.47 0.37 0.00 0.00 175.52 176.99 1udm n ASP 104 N -3.87 1.32 0.08 4.18 8.00 -0.52 -3.82 116.55 121.92 1udm n ASP 104 Ca -0.01 -1.73 -0.08 0.00 0.71 0.00 0.00 54.79 53.68 1udm n ASP 104 Cb 0.49 -0.11 0.04 0.00 -0.02 0.00 0.00 41.12 41.52 1udm n ASP 104 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1udm h LYS 105 N 1.67 0.23 -0.02 -1.24 3.11 -1.34 -3.06 116.57 115.92 1udm h LYS 105 Ca 0.00 -0.21 0.01 0.00 -2.81 0.00 0.00 60.65 57.64 1udm h LYS 105 Cb 0.37 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1udm h LYS 105 CO 0.00 0.89 0.05 1.15 -2.81 0.00 0.00 179.45 178.74 1udm h THR 106 N 0.15 0.24 0.01 1.00 2.02 -1.75 -1.76 112.91 112.81 1udm h THR 106 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1udm h THR 106 Cb 1.36 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1udm h THR 106 CO 0.12 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 175.88 1udm h LEU 107 N 0.00 0.04 -1.60 2.58 4.07 -1.80 -3.18 115.31 115.41 1udm h LEU 107 Ca 0.01 -0.93 -0.00 0.00 0.08 0.00 0.00 57.88 57.04 1udm h LEU 107 Cb 0.12 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1udm h LEU 107 CO -0.00 0.96 0.20 0.58 -1.08 0.00 0.00 178.44 179.10 1udm h VAL 108 N -0.88 1.10 -0.44 1.22 2.07 -1.48 -1.86 116.25 115.98 1udm h VAL 108 Ca -0.01 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1udm h VAL 108 Cb 0.97 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1udm h VAL 108 CO 0.01 0.11 0.01 0.50 0.02 0.00 0.00 177.57 178.22 1udm h LYS 109 N 0.47 0.71 -0.94 1.57 3.11 -1.43 -1.83 116.57 118.24 1udm h LYS 109 Ca 0.12 -0.18 0.25 0.00 -2.81 0.00 0.00 60.65 58.04 1udm h LYS 109 Cb -0.00 -0.09 -0.13 0.00 -1.00 0.00 0.00 32.23 31.00 1udm h LYS 109 CO -0.02 0.72 0.44 0.93 -2.81 0.00 0.00 179.45 178.71 1udm h GLU 110 N 0.67 0.36 0.12 1.90 4.39 -1.31 -0.75 114.58 119.96 1udm h GLU 110 Ca 0.14 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.48 1udm h GLU 110 Cb 0.41 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1udm h GLU 110 CO 0.02 0.24 -1.74 0.28 -1.16 0.00 0.00 179.01 176.65 1udm h VAL 111 N 0.37 0.91 -3.19 3.13 2.07 -1.61 -3.43 116.25 114.51 1udm h VAL 111 Ca 0.62 -2.59 -0.76 0.00 0.82 0.00 0.00 66.70 64.79 1udm h VAL 111 Cb 1.26 2.64 -0.24 0.00 -1.52 0.00 0.00 31.29 33.44 1udm h VAL 111 CO -0.57 0.81 -0.10 -0.69 0.02 0.00 0.00 177.57 177.04 1udm s VAL 112 N -2.59 5.23 0.00 2.57 1.01 -0.29 -4.75 120.40 121.57 1udm s VAL 112 Ca -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1udm s VAL 112 Cb 0.07 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1udm s VAL 112 CO 0.83 -0.94 0.00 0.00 0.00 0.00 0.00 175.10 174.98 1udm n GLN 113 N 5.18 2.41 0.22 2.72 6.02 -1.23 -4.49 117.38 128.22 1udm n GLN 113 Ca -0.08 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.99 1udm n GLN 113 Cb 0.42 -0.90 0.53 0.00 1.02 0.00 0.00 30.24 31.31 1udm n GLN 113 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1udm h ASN 114 N 0.00 0.00 -0.85 1.08 -0.73 -1.92 -3.44 115.58 109.72 1udm h ASN 114 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 1udm h ASN 114 Cb 0.80 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.41 1udm h ASN 114 CO 0.00 0.24 -0.01 2.22 -0.37 0.00 0.00 177.43 179.50 1udm n PHE 115 N -3.83 -1.49 -0.02 0.67 -1.74 -1.26 -4.90 117.46 104.90 1udm n PHE 115 Ca -0.02 -0.04 -0.01 0.00 -0.56 0.00 0.00 57.45 56.83 1udm n PHE 115 Cb 0.33 -0.16 -0.00 0.00 1.52 0.00 0.00 39.48 41.16 1udm n PHE 115 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1udm n ALA 116 N -2.30 0.12 -3.59 1.98 0.00 0.77 -4.91 120.51 112.58 1udm n ALA 116 Ca -0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 1udm n ALA 116 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 1udm n ALA 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1udm s LYS 117 N -1.29 1.34 -0.07 0.00 2.20 -1.26 -5.04 119.74 115.62 1udm s LYS 117 Ca -0.04 -0.61 -0.25 0.00 -0.36 0.00 0.00 55.97 54.71 1udm s LYS 117 Cb 0.01 0.54 -0.03 0.00 -1.51 0.00 0.00 37.83 36.84 1udm s LYS 117 CO 0.06 -0.60 0.77 -1.83 -0.36 0.00 0.00 175.35 173.38 1udm s GLU 118 N -3.65 4.44 -0.49 4.03 -1.05 -1.26 -1.43 118.70 119.28 1udm s GLU 118 Ca 0.06 0.99 -0.11 0.00 -0.15 0.00 0.00 54.97 55.76 1udm s GLU 118 Cb -0.02 -3.47 0.12 0.00 -0.44 0.00 0.00 34.13 30.32 1udm s GLU 118 CO -0.05 -0.01 0.40 -0.06 0.95 0.00 0.00 175.26 176.49 1udm s PHE 119 N 1.01 3.37 -0.70 4.83 0.40 0.21 -4.88 117.98 122.22 1udm s PHE 119 Ca 0.40 -1.69 -0.27 0.00 -0.60 0.00 0.00 56.93 54.77 1udm s PHE 119 Cb -0.18 -3.60 0.03 0.00 0.51 0.00 0.00 43.02 39.78 1udm s PHE 119 CO 0.19 -1.00 1.32 0.54 0.70 0.00 0.00 175.22 176.96 1udm s VAL 120 N 1.43 3.74 -0.01 -0.44 0.11 -1.26 0.17 120.40 124.14 1udm s VAL 120 Ca 0.05 0.48 0.07 0.00 -2.93 0.00 0.00 61.98 59.65 1udm s VAL 120 Cb -0.27 -4.80 -0.02 0.00 -1.53 0.00 0.00 36.38 29.76 1udm s VAL 120 CO 0.00 -1.68 -0.23 -0.63 -3.33 0.00 0.00 175.10 169.23 1udm s ILE 121 N 5.88 2.32 -0.01 7.04 1.01 0.32 -4.93 121.20 132.83 1udm s ILE 121 Ca 0.39 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1udm s ILE 121 Cb -0.08 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 1udm s ILE 121 CO 0.17 0.51 0.01 -1.20 0.00 0.00 0.00 174.94 174.44 1udm n SER 122 N 2.19 2.97 -4.27 3.58 7.64 -1.26 -0.95 113.62 123.52 1udm n SER 122 Ca -0.16 -0.20 -0.34 0.00 1.01 0.00 0.00 58.87 59.18 1udm n SER 122 Cb 0.52 1.01 -0.15 0.00 -1.01 0.00 0.00 64.21 64.57 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1udm s ASP 123 N -1.64 3.78 0.40 6.43 -1.08 -1.26 -3.30 116.67 120.00 1udm s ASP 123 Ca -0.00 -0.46 0.16 0.00 -0.52 0.00 0.00 52.55 51.74 1udm s ASP 123 Cb 0.00 -1.60 1.05 0.00 -1.46 0.00 0.00 42.92 40.91 1udm s ASP 123 CO 0.01 0.06 1.83 0.03 0.52 0.00 0.00 175.17 177.62 1udm h ARG 124 N 7.49 0.44 0.00 4.34 3.08 -1.94 0.29 114.38 128.09 1udm h ARG 124 Ca -0.36 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1udm h ARG 124 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1udm h ARG 124 CO 0.59 0.29 0.35 -0.22 -1.07 0.00 0.00 179.97 179.90 1udm h LYS 125 N 0.45 0.00 0.00 0.04 1.63 -2.00 0.84 116.57 117.52 1udm h LYS 125 Ca 0.51 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.31 1udm h LYS 125 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1udm h LYS 125 CO -0.22 0.00 -1.79 0.39 -3.45 0.00 0.00 179.45 174.38 1udm n GLU 126 N -2.37 0.60 0.17 1.90 1.02 0.10 -4.28 120.64 117.78 1udm n GLU 126 Ca -0.01 -0.16 0.13 0.00 -0.02 0.00 0.00 57.16 57.09 1udm n GLU 126 Cb 0.38 -1.44 0.60 0.00 -0.02 0.00 0.00 31.44 30.95 1udm n GLU 126 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1udm h LEU 127 N 0.00 0.00 -8.40 -4.62 -0.00 0.77 -3.42 115.31 99.65 1udm h LEU 127 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.30 1udm h LEU 127 Cb 0.83 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.46 1udm h LEU 127 CO 0.00 0.00 1.56 -0.62 -0.00 0.00 0.00 178.44 179.38 1udm n GLU 128 N -2.36 0.76 -0.54 1.13 1.02 -1.20 -4.74 120.64 114.71 1udm n GLU 128 Ca 0.00 0.13 0.44 0.00 -0.02 0.00 0.00 57.16 57.71 1udm n GLU 128 Cb 0.14 -2.44 0.71 0.00 -0.02 0.00 0.00 31.44 29.83 1udm n GLU 128 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1udm n GLU 129 N 8.45 -0.02 -0.20 3.49 2.13 -1.26 0.13 120.64 133.35 1udm n GLU 129 Ca 0.47 1.17 -0.00 0.00 0.66 0.00 0.00 57.16 59.46 1udm n GLU 129 Cb 0.25 -2.43 0.10 0.00 0.27 0.00 0.00 31.44 29.64 1udm n GLU 129 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1udm h ASP 130 N 0.00 0.28 -0.16 4.31 5.19 -1.93 -1.00 116.42 123.11 1udm h ASP 130 Ca 0.88 0.07 -0.14 0.00 -0.62 0.00 0.00 57.03 57.22 1udm h ASP 130 Cb 3.08 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 42.61 1udm h ASP 130 CO -0.31 0.17 -0.39 0.15 -3.12 0.00 0.00 179.24 175.74 1udm h PHE 131 N 0.45 0.82 -0.34 4.55 3.57 0.71 -3.16 116.94 123.54 1udm h PHE 131 Ca 0.30 -0.24 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1udm h PHE 131 Cb 0.34 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1udm h PHE 131 CO -0.15 0.97 0.18 0.82 -2.23 0.00 0.00 178.31 177.91 1udm h ILE 132 N 0.57 1.01 0.20 1.41 1.08 -1.05 -3.07 117.51 117.65 1udm h ILE 132 Ca 0.05 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1udm h ILE 132 Cb 0.92 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 1udm h ILE 132 CO 0.08 0.07 -0.49 0.03 -0.69 0.00 0.00 178.15 177.15 1udm h ARG 133 N 0.38 -0.74 -1.09 2.37 -0.00 -1.19 -1.13 114.38 112.98 1udm h ARG 133 Ca 0.14 0.05 0.42 0.00 -0.50 0.00 0.00 59.98 60.09 1udm h ARG 133 Cb 0.03 0.17 -0.15 0.00 0.00 0.00 0.00 29.97 30.02 1udm h ARG 133 CO -0.08 -0.49 0.65 0.43 0.00 0.00 0.00 179.97 180.48 1udm n SER 134 N -5.29 0.27 0.28 7.04 7.64 -1.17 0.07 113.62 122.46 1udm n SER 134 Ca -0.09 1.42 -0.14 0.00 1.01 0.00 0.00 58.87 61.08 1udm n SER 134 Cb 0.40 -0.70 -0.07 0.00 -1.01 0.00 0.00 64.21 62.83 1udm n SER 134 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1udm h GLU 135 N 0.00 -0.72 -0.99 1.43 4.39 -1.18 -3.21 114.58 114.30 1udm h GLU 135 Ca 0.80 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.62 1udm h GLU 135 Cb 2.34 0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 31.09 1udm h GLU 135 CO -0.59 -0.42 0.64 -0.07 -1.16 0.00 0.00 179.01 177.41 1udm h LEU 136 N -1.08 1.01 -0.97 1.33 3.38 0.05 0.61 115.31 119.65 1udm h LEU 136 Ca -0.08 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.22 1udm h LEU 136 Cb 0.63 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.02 1udm h LEU 136 CO 0.12 0.64 0.43 0.11 0.09 0.00 0.00 178.44 179.83 1udm h LYS 137 N 1.15 0.19 0.00 1.13 1.57 -0.49 -0.01 116.57 120.11 1udm h LYS 137 Ca 0.43 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.08 1udm h LYS 137 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1udm h LYS 137 CO -0.18 0.13 -2.01 0.36 -0.57 0.00 0.00 179.45 177.18 1udm n LYS 138 N -5.18 0.75 -0.01 3.15 -0.00 -0.76 -5.08 118.16 111.03 1udm n LYS 138 Ca 0.30 -0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1udm n LYS 138 Cb 0.95 -1.46 -0.00 0.00 -0.00 0.00 0.00 35.03 34.52 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1udm n ALA 139 N -2.34 -0.13 0.00 0.58 0.00 0.21 -5.00 120.51 113.82 1udm n ALA 139 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1udm n ALA 139 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1udm n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1udm n GLY 140 N -0.06 -0.88 0.00 0.00 0.00 -1.26 -4.98 105.19 98.01 1udm n GLY 140 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1udm n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1udm n GLY 141 N -0.41 -1.57 2.61 -0.02 0.00 -1.26 -5.05 105.19 99.50 1udm n GLY 141 Ca 0.00 0.79 -0.12 0.00 0.00 0.00 0.00 46.02 46.69 1udm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 142 N 0.00 -1.09 -0.00 4.61 0.00 -1.26 -4.97 120.51 117.81 1udm n ALA 142 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 1udm n ALA 142 Cb 0.00 -2.40 -0.14 0.00 0.00 0.00 0.00 19.45 16.91 1udm n ALA 142 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1udm h ASN 143 N -1.36 0.34 -5.20 0.00 7.08 -2.05 -3.49 115.58 110.90 1udm h ASN 143 Ca -0.36 -0.84 -0.32 0.00 -3.08 0.00 0.00 56.30 51.71 1udm h ASN 143 Cb 1.22 -0.11 0.14 0.00 -2.08 0.00 0.00 38.32 37.48 1udm h ASN 143 CO 0.32 1.60 -0.63 -1.22 -2.08 0.00 0.00 177.43 175.42 1udm n TYR 144 N -3.96 -2.19 0.07 4.14 4.01 -1.26 -4.94 117.16 113.02 1udm n TYR 144 Ca -0.25 0.85 -0.22 0.00 -0.16 0.00 0.00 57.90 58.12 1udm n TYR 144 Cb 0.88 -4.61 -0.15 0.00 -0.31 0.00 0.00 39.34 35.15 1udm n TYR 144 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1udm h ASP 145 N -1.98 0.56 -0.89 7.72 3.58 -2.04 -3.44 116.42 119.92 1udm h ASP 145 Ca -0.51 -0.92 -0.56 0.00 0.42 0.00 0.00 57.03 55.46 1udm h ASP 145 Cb 1.31 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 1udm h ASP 145 CO 0.46 1.57 1.58 0.00 -2.88 0.00 0.00 179.24 179.97 1udm n ALA 146 N -2.78 0.74 -2.19 -0.78 0.00 -1.26 -4.89 120.51 109.35 1udm n ALA 146 Ca -0.19 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 1udm n ALA 146 Cb 0.94 -2.65 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 1udm n ALA 146 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1udm s GLN 147 N 7.62 1.00 -0.00 0.00 0.74 -1.26 -5.17 119.66 122.59 1udm s GLN 147 Ca 1.14 -1.47 -0.03 0.00 0.05 0.00 0.00 55.36 55.05 1udm s GLN 147 Cb -0.79 0.00 -0.00 0.00 1.10 0.00 0.00 33.01 33.32 1udm s GLN 147 CO 0.43 -0.19 0.06 -1.54 -0.55 0.00 0.00 175.29 173.49 1udm s SER 148 N -3.10 0.05 0.00 6.67 1.04 -1.26 -5.16 113.70 111.94 1udm s SER 148 Ca 0.23 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1udm s SER 148 Cb 0.07 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.35 1udm s SER 148 CO 0.02 -0.20 0.51 1.21 0.98 0.00 0.00 173.24 175.77